2-ethyl-1-propyl-4-(trifluoromethyl)imidazole

C9H13F3N2 — CID 71124860

IUPAC2-ethyl-1-propyl-4-(trifluoromethyl)imidazole
SMILESCCCn1cc(C(F)(F)F)nc1CC
InChIInChI=1S/C9H13F3N2/c1-3-5-14-6-7(9(10,11)12)13-8(14)4-2/h6H,3-5H2,1-2H3
InChIKeyLQGFCHRNXGBUNH-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.87
Rot. Bonds3

About 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole

2-ethyl-1-propyl-4-(trifluoromethyl)imidazole (PubChem CID 71124860) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-propyl-4-(trifluoromethyl)imidazole
PubChem CID71124860
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-ethyl-1-propyl-4-(trifluoromethyl)imidazole
SMILESCCCn1cc(C(F)(F)F)nc1CC
InChIInChI=1S/C9H13F3N2/c1-3-5-14-6-7(9(10,11)12)13-8(14)4-2/h6H,3-5H2,1-2H3
InChIKeyLQGFCHRNXGBUNH-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole (CID 71124860) is 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole is CCCn1cc(C(F)(F)F)nc1CC.
What is the InChIKey of 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole?
The InChIKey is LQGFCHRNXGBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-3-5-14-6-7(9(10,11)12)13-8(14)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole?
2-ethyl-1-propyl-4-(trifluoromethyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 71124860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).